⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29305600 | 0.85 | — | — | |
| SCHEMBL21516811 | 0.75 | — | — | |
| SCHEMBL702148 | 0.72 | — | — | |
| Ether SCHEMBL27898559 | 0.72 | — | — | |
| SCHEMBL7050283 | 0.69 | — | — | |
| SCHEMBL7050287 | 0.69 | — | — | |
| SCHEMBL22642132 | 0.69 | — | — | |
| Ether SCHEMBL28136368 | 0.69 | ALOX15 (0.37) | — | |
| SCHEMBL24861213 | 0.67 | — | — | |
| SCHEMBL4231821 | 0.67 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0112623-A2 | 3-Aryl-5-pyrazole-carboxylic-acid derivatives, their preparation and pharmaceutical compositions | ELI LILLY AND COMPANY (US) | 1984-07-04 | — | — | EP | disclosed |